SCHEMBL6525434

SCHEMBL6525434

COc1ccc(Nc2cnc3[nH]c(=O)c4ccccc4c3c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 1/20 0.56
KDM4E B2RXH2 1/20 0.55
BRD4 O60885 2/20 0.55
DYRK1A Q13627 1/20 0.50
DYRK1B Q9Y463 1/20 0.50
DHFR P00374 1/20 0.48
PTK6 Q13882 1/20 0.48
MMP2 P08253 2/20 0.47
MMP9 P14780 2/20 0.47
MMP13 P45452 2/20 0.47
MAPT P10636 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TNKS O95271 1/20 0.46
AURKA O14965 2/20 0.46
PARP1 P09874 1/20 0.46
GAA P10253 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
APP P05067 1/20 0.45
MMP8 P22894 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6522107 0.86 AURKA (0.54) CDC25BKDM4EBRD4DHFRMAPT
SCHEMBL6524991 0.84 MAPT (0.55) CDC25BKDM4EBRD4DYRK1AMAPT
SCHEMBL6517572 0.83 PARP1 (0.50) CDC25BKDM4EBRD4DYRK1ADYRK1B
SCHEMBL6519154 0.81 AURKA (0.55) CDC25BKDM4EBRD4DYRK1APTK6
SCHEMBL6523119 0.78 PDE9A (0.50) KDM4EDYRK1AMMP13MAPTMEN1
SCHEMBL6525424 0.76 ABL1 (0.57) KDM4EBRD4MAPTMEN1KMT2A
SCHEMBL6810704 0.75 PDE3B (0.50) KDM4EDYRK1ADYRK1BDHFRPTK6
SCHEMBL6522992 0.74 PTK6 (0.79) KDM4EPTK6AURKA
SCHEMBL674901 0.74 DYRK1B (0.54) KDM4EDYRK1ADYRK1BPTK6MAPT
SCHEMBL6521162 0.74 AURKA (0.55) DYRK1ADYRK1BPTK6MAPTMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
US-8735584-B2 Protein kinase inhibitors and use thereof MERCK PATENT GMBH (DE) 2014-05-27 US disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
EP-2254889-B1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2012-12-19 EP disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK PATENT GMBH (DE) 2011-03-03 US disclosed
WO-2009108670-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MERCK SERONO S.A. (CH) 2009-09-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110053906-A1 PROTEIN KINASE INHIBITORS AND USE THEREOF MAP4K2, MAP3K20, MAP4K1 CDC25B 787/4885KDM4E 1872/4885BRD4 610/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.